2-[1-(2-ethyl-6-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]-N-methyl-adamantan-2-amine

Systemtic Name: 2-[1-(2-ethyl-6-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]-N-methyl-adamantan-2-amine Openeye Name: 2-[1-(2-ethyl-6-methyl-phenyl)tetrazol-5-yl]-N-methyl-adamantan-2-amine CAS Name: 2-[1-(2-ethyl-6-methylphenyl)-5-tetrazolyl]-N-methyl-2-adamantanamine IUPAC Name: 2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N-methyladamantan-2-amine Traditional Name: [2-[1-(2-ethyl-6-methyl-phenyl)tetrazol-5-yl]-2-adamantyl]-methyl-amine Formula: C21H29N5 MolecularWeight: 351.48846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C(=NN=N2)C3(C4CC5CC(C4)CC3C5)NC)C

Isomeric SMILES

CCC1=CC=CC(=C1N2C(=NN=N2)C3(C4CC5CC(C4)CC3C5)NC)C

InChI

InChI=1S/C21H29N5/c1-4-16-7-5-6-13(2)19(16)26-20(23-24-25-26)21(22-3)17-9-14-8-15(11-17)12-18(21)10-14/h5-7,14-15,17-18,22H,4,8-12H2,1-3H3